domdec_network.h File Reference

#include "gromacs/math/vectypes.h"

Description

This file declares functions for (mostly) the domdec module to use MPI functionality.

Todo:

Wrap the raw dd_bcast in md.cpp into a higher-level function in the domdec module, then this file can be module-internal.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes
class	gmx::ArrayRef< typename >
	STL-like interface to a C array of T (or part of a std container of T). More...

Enumerations
enum	{ dddirForward, dddirBackward }

Functions
template<typename T >
void	ddSendrecv (const gmx_domdec_t *dd, int ddDimensionIndex, int direction, gmx::ArrayRef< T > sendBuffer, gmx::ArrayRef< T > receiveBuffer)
	Move a view of T values in the communication region one cell along the domain decomposition. More...
template void	ddSendrecv< int > (const gmx_domdec_t *dd, int ddDimensionIndex, int direction, gmx::ArrayRef< int > sendBuffer, gmx::ArrayRef< int > receiveBuffer)
	Extern declaration for int specialization.
template void	ddSendrecv< real > (const gmx_domdec_t *dd, int ddDimensionIndex, int direction, gmx::ArrayRef< real > sendBuffer, gmx::ArrayRef< real > receiveBuffer)
	Extern declaration for real specialization.
template void	ddSendrecv< gmx::RVec > (const gmx_domdec_t *dd, int ddDimensionIndex, int direction, gmx::ArrayRef< gmx::RVec > sendBuffer, gmx::ArrayRef< gmx::RVec > receiveBuffer)
	Extern declaration for gmx::RVec specialization.
void	dd_sendrecv2_rvec (const struct gmx_domdec_t *dd, int ddimind, rvec *buf_s_fw, int n_s_fw, rvec *buf_r_fw, int n_r_fw, rvec *buf_s_bw, int n_s_bw, rvec *buf_r_bw, int n_r_bw)
	Move revc's in the comm. region one cell along the domain decomposition. More...
void	dd_bcast (const gmx_domdec_t *dd, int nbytes, void *data)
	Broadcasts nbytes from data on DDMAINRANK to all PP ranks.
void	dd_scatter (const gmx_domdec_t *dd, int nbytes, const void *src, void *dest)
	Scatters nbytes from src on DDMAINRANK to all PP ranks, received in dest.
void	dd_gather (const gmx_domdec_t *dd, int nbytes, const void *src, void *dest)
	Gathers nbytes from src on all PP ranks, received in dest on DDMAINRANK.
template<typename T >
void	dd_scatterv (const gmx_domdec_t *dd, gmx::ArrayRef< const int > scounts, gmx::ArrayRef< const int > disps, const T *sbuf, int rcount, T *rbuf)
	Scatters scounts elements of type T from src on DDMAINRANK to all PP ranks, receiving rcount * sc_scattervSize elements in dest. More...
template void	dd_scatterv (const gmx_domdec_t *dd, gmx::ArrayRef< const int > scounts, gmx::ArrayRef< const int > disps, const int *sbuf, int rcount, int *rbuf)
	Instantiation of dd_scatterv for type int.
template void	dd_scatterv (const gmx_domdec_t *dd, gmx::ArrayRef< const int > scounts, gmx::ArrayRef< const int > disps, const gmx::RVec *sbuf, int rcount, gmx::RVec *rbuf)
	Instantiation of dd_scatterv for type real.
template<typename T >
void	dd_gatherv (const gmx_domdec_t *dd, int scount, const T *sbuf, gmx::ArrayRef< const int > rcounts, gmx::ArrayRef< const int > disps, T *rbuf)
	Gathers rcount elements of type T from src on all PP ranks, received in scounts elements in dest on DDMAINRANK. More...
template void	dd_gatherv (const gmx_domdec_t *dd, int scount, const int *sbuf, gmx::ArrayRef< const int > rcounts, gmx::ArrayRef< const int > disps, int *rbuf)
	Instantiation of dd_gatherv for type int.
template void	dd_gatherv (const gmx_domdec_t *dd, int scount, const gmx::RVec *sbuf, gmx::ArrayRef< const int > rcounts, gmx::ArrayRef< const int > disps, gmx::RVec *rbuf)
	Instantiation of dd_gatherv for type real.

Function Documentation

template<typename T >

void dd_gatherv	(	const gmx_domdec_t *	dd,
		int	scount,
		const T *	sbuf,
		gmx::ArrayRef< const int >	rcounts,
		gmx::ArrayRef< const int >	disps,
		T *	rbuf
	)

Gathers rcount elements of type T from src on all PP ranks, received in scounts elements in dest on DDMAINRANK.

Template Parameters

T	Data type, can only be int or real

See man MPI_Gatherv for details of how to construct scounts and disps.

If scount==0, sbuf is allowed to be nullptr.

template<typename T >

void dd_scatterv	(	const gmx_domdec_t *	dd,
		gmx::ArrayRef< const int >	scounts,
		gmx::ArrayRef< const int >	disps,
		const T *	sbuf,
		int	rcount,
		T *	rbuf
	)

Scatters scounts elements of type T from src on DDMAINRANK to all PP ranks, receiving rcount * sc_scattervSize elements in dest.

Template Parameters

T	Data type, can only be int or real

See man MPI_Scatterv for details of how to construct scounts and disps. If rcount==0, rbuf is allowed to be nullptr.

void dd_sendrecv2_rvec	(	const struct gmx_domdec_t *	dd,
		int	ddimind,
		rvec *	buf_s_fw,
		int	n_s_fw,
		rvec *	buf_r_fw,
		int	n_r_fw,
		rvec *	buf_s_bw,
		int	n_s_bw,
		rvec *	buf_r_bw,
		int	n_r_bw
	)

Move revc's in the comm. region one cell along the domain decomposition.

Moves in dimension indexed by ddimind, simultaneously in the forward and backward directions.

template<typename T >

void ddSendrecv	(	const gmx_domdec_t *	dd,
		int	ddDimensionIndex,
		int	direction,
		gmx::ArrayRef< T >	sendBuffer,
		gmx::ArrayRef< T >	receiveBuffer
	)

Move a view of T values in the communication region one cell along the domain decomposition.

Moves in the dimension indexed by ddDimensionIndex, either forward (direction=dddirFoward) or backward (direction=dddirBackward).